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42 datasets for “chemical structures”

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    End-to-end mapping of membrane transport from chemical structure to microorganisms

    GRICOURT, GuillaumeUpdated 21 Mar 2026

    Lien vers la fiche source Datasets used to train the models. Models saved.

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    Physical-chemical and structural stability of poly(3HB-co-3HV)/(ligno-)cellulosic fibre-based biocomposites over successive dishwashing cycles

    Doineau, EstelleUpdated 20 Jan 2022

    Lien vers la fiche source Raw data for the article "Physical-Chemical and Structural Stability of Poly(3HB …

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    Cellulose interactions with water by ssNMR

    Falourd XavierUpdated 14 Feb 2026

    Lien vers la fiche source A complete set of files (13C CPMAS NMR spectra, processed data, metadata, and …

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    Questionnaire structure of stakeholder survey about biomaterials and biogas facilities

    Kuti, TündeUpdated 2 Sept 2020

    Lien vers la fiche source The questionnaire for solutions to obtain NoAW biomaterials based on agricultural residues included …

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    Modèle de représentation macroscopique énergétique (REM) de la pile à combustible et conduit à une structure de contrôle maximale (SCM)

    Boulon, LoïcUpdated 19 Aug 2025

    … Unfortunately, the SCM is only a theoretical control structure. Therefore, a realistic structure requires some simplifications, which leads …

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    Seasonal Physico-Chemical and High-Frequency Monitoring of Lake Tignes for Mecanistic Model Calibration and Climate Change Impact Assessment (2022-2023)

    Desgue, OliviaUpdated 11 Apr 2025

    … impacts on the thermal structure and water quality of Lake Tignes. Monthly physico-chemical measurements (temperature, conductivity, pH …

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    Data of "Disubstituted Ferrocenyl Iodo- and Chalcogenoalkynes as Chiral Halogen and Chalcogen Bond Donors"

    Aubert, EmmanuelUpdated 22 Nov 2024

    … Optimized molecular structure /MWFN/ : ESP surface analysis /Freq/ : frequency calculation results /Conf2/ : eventually a second molecular conformation

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    BoostCrop chemical library

    FLOURAT, AmandineUpdated 8 Mar 2024

    … The plant’s response to cold stress, however, is complex, involving many physiological, structural, and biochemical changes, which …

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    Functional effect of vaterite - The presence of an alternative crystalline structure in otolith alters escape kinematics of the brown trout (Salmo trutta)

    Vignon, MatthiasUpdated 25 Jun 2021

    … The presence of an alternative crystalline structure in otolith is therefore suspected to alter fish's behavior in …

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    Periodic table / Tableau périodique des éléments (Mendeleïev)

    Chris AndrejewskiUpdated 8 Dec 2017

    … the chemical elements, ordered by their atomic number, electron configuration, and recurring chemical properties, whose structure shows periodic …

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    Antimicrobial Activity and DFT Studies of a Novel Set of Spiropyrrolidines Tethered with Thiochroman-4-one/Chroman-4-one Scaffolds

    Chouchène, NourhèneUpdated 12 Dec 2025

    … Quantum chemical calculations studies, using the DFT approach, were performed to rationalize the stereochemical outcome. These N-heterocycles …

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    Dataset associated with : Uncovering aquatic toxicity as a specific stressor among multiple environmental drivers affecting the functional structure of French stream macroinvertebrate communities

    Recoura-Massaquant, RémiUpdated 14 Jan 2026

    … study linking chemical toxicity (based on Gammarus fossarum feeding inhibition bioassays) with aquatic macroinvertebrate community structure and traits …

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    Formation d'hydrocarbures aromatiques polycycliques complexes interstellaires : aperçus des simulations de dynamique moléculaire du benzène déshydrogéné

    Hanine, MeriemUpdated 26 Aug 2025

    … data file that contains the DFT-calculated optimized structures and their atomic coordinates. - An animation demonstrating the formation …

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    Reaching V2(PO4)3 by sodium extraction from single-phase NaxV2(PO4)3 (1 < x < 3) positive electrode materials

    Croguennec, LaurenceUpdated 4 Nov 2024

    … Typically, chemically prepared c-Na 2 V 2 (PO 4 ) 3 , obtained by annealing an equimolar mixture of …

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    Supporting information for: Cordiasecosides G-J, 9,10-Seco-29-norcycloartane glycosides isolated from Cordia lutea and their antibacterial activities.

    Castro, InésUpdated 18 Jan 2023

    … Their structural assignment is based on NMR and MS analysis. Their stereochemistry is confirmed by molecular modelling studies …

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    HIPPO environmental monitoring: Impact of phytoplankton dynamics on water column chemistry and the sclerochronology of the king scallop (Pecten maximus) as a biogenic archive for past primary production reconstructions

    Ifremer, Univ Brest, CNRS, IRD, LEMAR, F‐29280, Plouzané, FranceUpdated 6 Jun 2024

    … However, the structural and/or chemical studies of the shell of the king scallop, Pecten maximus, hold the …

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    Silver Corpus for Plant-based Food Fermentation Information Extraction

    ZHU, XINGYUUpdated 2 Mar 2026

    … The data was automatically annotated using a Large Language Model (LLM), resulting in a structured JSON format that …

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    Software Architecture of the OLA Observatory Information System for Lake Environmental Research

    Schellenberger, AntoineUpdated 1 Aug 2021

    … Software architecture of this IS is structured around (i) a shared central component dedicated to generic functions and …

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    Inverse QSAR: reversing descriptor-driven prediction pipeline using attention-based conditional variational autoencoder (ACoVAE)

    BORT, WilliamUpdated 5 Oct 2022

    … QSAR model output values and (ii) identifying the chemical structures best matching the “seed” vectors. The main development …

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    Environmental variables, species abundance and stable isotopes of species associated to Bathymodiolus azoricus mussel assemblages at the Capelinhos hydrothermal structure (Lucky Strike vent field, Mid-Atlantic Ridge)

    Université de Brest, Ifremer, CNRS, Unité BEEP, Plouzané, Bretagne, France Department of Biology, University of Victoria, Victoria, British Columbia, CanadaUpdated 26 Jan 2024

    … C1, PL604 C2, PL602 C3) of Capelinhos hydrothermal structure (1,665 m depth, Lucky Strike vent field, Mid …

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“chemical structures” datasets · Open Data Finder